Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVDASEGSSKEEEAGHVPHVEVESARNCGEAWTKTRSSPFTSVWHISGETGAAAGHCREGSLHKLIATNNISGVRLWLSNPFCRSMINDLNHAGETPLHVAVQCCSPRILSLLLDPPPLQISPSLLASCSLRLPRPLAGTAEPPSGAPASSNEGAPLGGSAEEVADAGVASLKTQQPFSAETAISSVVATDAAAACDQLAMAAAARVDFSLSVDGIPTLHLLIGRTAFGGARGEDAMECLKRILLHIGRFQPGAADRCPRCSPGKTKPTACGRERSGVKAESVAFECGDHVSDPQAGGLRESQISHPGLGGQQEYGCQCCGGTLGSLDSRRKKEMREARDRVCCPEVFTVERQTSAADSVMLDLEEMDLQGRTALHLACSFGVSPVAELLLHAGASPWARRLGLGQLPIHSAIDADDPACCLLLLRHTLPCRFFVNFSCICGRRCDSGATGGRQAPVNTLALKRSPAATKFVFQLVRRCVRRGAWRCFRALLLYPTESSACFSGSVEGGDKAEGLQPGGSNSAASRRCEVENLGRKEDACERQGGRVRCVTKDVAASWCSGLHGLLDGEVRAWLYLREEARRAGALLDLKEQLQRVVTTSPACCQAAAASWTAVPASPCDGHKFGVKSESETGLLLSLFGTHGDAEGKTAKRGEGRTMVVTHALCLEHLPLPE-P-ADMPLKRHKLMQRFPENPSRLEVVTSD--RCGILRTREFSPLLWMDDPMPASLSDILRVHSMSYIARLKLRVEDAFGISTRLPSLSPPLSYAPGQTAAAATATGAEALAAAAAALDSKLQKEQYEKQKRQQIENVGSAGRYSFVFADGDTPVTCFSWAAAVHAAGAVIAAVDAVCERKCRNAFCAVRPPGHHLGNWGAAQTASNQLTDEDIAAGSQGFCLLNNVAIGAAYAKYNYARKGIRRIAIVDFDVHHGNGTEQIIRNVGMKIRKVKQPQGAALRLYRRAADELRGTSTLVSSNLSRDAPAAGDNSAHCGPDPCEVDATGSEKTPSQGYHVGDGGKVSAALPPQLAGPVDVPQWMGWRDERDAEELFFASIHAFDGTFYPGTGADCEDF---SGPVVINVNILPHPTGPSLHKCCRCQKCSGRPCAGGAHRRCPRGRDAGVSYANASPMEVEMAARTPDVPVQVSWSCHFCRHPTLAPSSVAARRLFLKRIIRPLLRFGPDLLFISAGFDGHAQDQIGGAFGGFAEEDFRFFTHALVRCAERTCEGRVVSVLEGGYSVSGGVSSTLAASVKEHLRGLMRTPAGGSCFAGALGSEQPGNEAHEAAPRESSLSFPGKNGWEEDIEVGDAATSDVTASDVEESWQLIEGENTGMDGADSSDALLDEGSRRNGSDDGPSADALSHRRPREAKTLDGCASPGPHSSTETASEASGHCEREHSADFPPGADACRSRGTEHRSPTNAFASSASAPSAQRYGDSATVNNNDLLTLRALCRGTDGCLR 5G1B Chain:A ((4-334)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AIGYVWNTLYGWVDTGTGSLAAANLTARMQPISHHLAHPDTKRRFHELVCASGQIEHL------TPIAAVAATDADILRAHSAAHLENMKRVSNLP--------------------T------------------------------G----------G-----DTGDGITMMGNGGLEIARLSAGGAVELTRRVATGELSAGYALVNPPGHHAPH-----------------NAAMGFCIFNNTSVAAGYARAVL---GMERVAILDWDVHHGNGTQDIWWND--------------------------------------------------------------------------------------------------------PSVLTISLHQHL-CFPPDSGYSTERGAGNGHGYNINVPLPP-----------------------------------GSG-------------------------------------NAAYLHAMDQVVLPALRAYRPQLIIVGSGFDASMLDPLAR--MMVTADGFRQMARRTIDCAADICDGRIVFVQEGGYSPHY-----LPFCGLAVIEELTGVR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5G1B.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2136 -82866 -38.79 -255.76 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -38.79 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.103

(partial model without unconserved sides chains): PDB file : Tito_5G1B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5g1b-query.scw PDB file : Tito_Scwrl_5G1B.pdb: